3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide

C18H22N2O — CID 24645511

IUPAC3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2ccccn2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-13-7-8-16(14(2)12-13)9-10-18(21)20-15(3)17-6-4-5-11-19-17/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,21)
InChIKeyKYJVNHAVILKUOY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.51
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide

3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide (PubChem CID 24645511) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
PubChem CID24645511
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2ccccn2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-13-7-8-16(14(2)12-13)9-10-18(21)20-15(3)17-6-4-5-11-19-17/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,21)
InChIKeyKYJVNHAVILKUOY-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645445
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
3-(2,4-dimethylphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51329039
2-(6-methyl-1-benzofuran-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41194976
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide (CID 24645511) is 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide is Cc1ccc(CCC(=O)NC(C)c2ccccn2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide?
The InChIKey is KYJVNHAVILKUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-7-8-16(14(2)12-13)9-10-18(21)20-15(3)17-6-4-5-11-19-17/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide?
3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-(1-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 24645511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).